Modeling the Layer-by-Layer Growth of HKUST-1 Metal-Organic Framework Thin Films.

ABSTRACT: Metal organic frameworks have emerged as an important new class of materials with many applications, such as sensing, gas separation, drug delivery. In many cases, their performance is limited by structural defects, including vacancies and domain boundaries. In the case of MOF thin films, surface roughness can also have a pronounced influence on MOF-based device properties. Presently, there is little systematic knowledge about optimal growth conditions with regard to optimal morphologies for specific applications. In this work, we simulate the layer-by-layer (LbL) growth of the HKUST-1 MOF as a function of temperature and reactant concentration using a coarse-grained model that permits detailed insights into the growth mechanism. This model helps to understand the morphological features of

SUBMITTER: Zhang Q 

PROVIDER: S-EPMC8304807 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature